| SpectraBase Compound ID | IlCnAWSKYtn |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-5-7-8-14-22-18(20)16-11-9-15(10-12-16)17(19)21-13-6-4-2/h4,9-12H,2-3,5-8,13-14H2,1H3 |
| InChIKey | GOCUZZWHKYALTN-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ujoB0gzRgm |
|---|---|
| Name | Terephthalic acid, but-3-enyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-3-5-7-8-14-22-18(20)16-11-9-15(10-12-16)17(19)21-13-6-4-2/h4,9-12H,2-3,5-8,13-14H2,1H3 |
| InChIKey | GOCUZZWHKYALTN-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OCCC=C)=O |